[Wien] "No energy limits found for L=0"
zhao
yongh_zhao518 at 163.com
Tue Aug 7 13:09:17 CEST 2007
Dear wien2k users:
I have encountered " 'SELECT' - no energy limits found for L=0 " after
several iterations. As the usersguid said, I have tried smaller mixing
factors, even as smaller as 0.001, but it make no sense. then I examined
the scf file. I found that during the first iteration, some E(BOTTOM)s
are equal to -200.00.
Anyone help me? Thank you very much.
Best wishes
yours zhao
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